File: simple_torsion.dg.mol

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rdkit 201603.5-2
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OCCC seed 42
     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.8836   -0.8171   -0.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178    0.1322   -0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4983    0.0364   -0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170   -0.3454    0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6165    0.0048   -1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2587    1.1689   -0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1584   -1.0218    1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519    1.0170   -0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4061   -0.1359    0.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3501   -0.7238   -1.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END